Critical Cavities and Homogeneous Bubble Nucleation in Superheated Liquids

普渡大学的David S. Corti在理论和计算化学项目的支持下，发展了一种过热液体中均匀气泡成核的分子理论。各种理论和分子模拟方法被用来研究几种模型液体中的空腔和气泡的形成。目标是提供一种改进的基于分子的液体一阶相变的理解。研究正在进行中，以了解在过热液体中预测的不稳定轨迹的统计力学起源，以及空腔形成和气泡形成之间的联系。这一信息有助于对液体中气泡成核速率进行精确的定量预测，并将作为对目前使用的现象学方法进行修改的指南。这项工作在增加我们对液相和相变的理解方面具有更广泛的影响，这与材料加工和制造有关。参与本研究的学生将获得统计力学、热力学和分子模拟的坚实基础。研究结果为以分子为基础描述气泡成核的课堂讨论提供了材料。这些讨论为来自不同研究领域的本科生带来了最前沿的研究问题。

David S. Corti of Purdue University is supported by the Theoretical and Computational Chemistry Program to develop a molecular theory of homogeneous bubble nucleation in superheated liquids. A variety of theoretical and molecular simulation methods are in use to study cavity and bubble formation in several model liquids. The goal is to provide an improved molecular-based understanding of first-order phase transitions in liquids. Investigations are underway to understand the statistical mechanical origin of the locus of instability predicted in superheated liquids, and the connection between cavity creation and bubble formation. This information is leading to accurate quantitative predictions of bubble nucleation rates in liquids, and will serve as a guide to modifications of phenomenological approaches currently in use. This work is having a broader impact in increasing our understanding of the liquid phase and phase transitions, which has relevance in material processing and manufacturing. Students involved in this research receive a solid foundation in statistical mechanics, thermodynamics and molecular simulation. Results of the research provide material for classroom discussions of the molecular-based description of bubble nucleation. These discussions bring cutting-edge research problems within the grasp of undergraduates from diverse areas of study.